5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide

C12H18ClN5O2 — CID 114924347

IUPAC5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCNC(=O)N(C)C)c(Cl)cn1
InChIInChI=1S/C12H18ClN5O2/c1-14-10-6-8(9(13)7-17-10)11(19)15-4-5-16-12(20)18(2)3/h6-7H,4-5H2,1-3H3,(H,14,17)(H,15,19)(H,16,20)
InChIKeyVZFLMBDAOZGROI-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.78
Rot. Bonds5

About 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114924347) has the molecular formula C12H18ClN5O2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
PubChem CID114924347
Molecular FormulaC12H18ClN5O2
Molecular Weight299.76 g/mol
Exact Mass299.11
IUPAC Name5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCNC(=O)N(C)C)c(Cl)cn1
InChIInChI=1S/C12H18ClN5O2/c1-14-10-6-8(9(13)7-17-10)11(19)15-4-5-16-12(20)18(2)3/h6-7H,4-5H2,1-3H3,(H,14,17)(H,15,19)(H,16,20)
InChIKeyVZFLMBDAOZGROI-UHFFFAOYSA-N
XLogP0.78
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924344
5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924528
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114924429
5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106422895
5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924242
2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
CID 108573425
5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 114922352
5-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924409
5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924673
5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114923493
5-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)pyridine-4-carboxamide
CID 114922690

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide (CID 114924347) is 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCCNC(=O)N(C)C)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is VZFLMBDAOZGROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O2/c1-14-10-6-8(9(13)7-17-10)11(19)15-4-5-16-12(20)18(2)3/h6-7H,4-5H2,1-3H3,(H,14,17)(H,15,19)(H,16,20).
What are the key properties of 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114924347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).